Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 9/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11097375 | 0.86 | CYP3A4 (0.40) | CYP19A1CYP3A4CYP3A5KDM4EALDH1A1 | |
| SCHEMBL11096842 | 0.80 | NPC1 (0.43) | CYP3A4CYP3A5KMT2AMEN1 | |
| SCHEMBL11093646 | 0.79 | CYP19A1 (0.50) | CYP19A1CYP3A4CYP3A5KMT2A | |
| SCHEMBL11094144 | 0.78 | CYP3A4 (0.36) | CYP3A4CYP3A5CYP17A1 | |
| SCHEMBL11095244 | 0.77 | CYP19A1 (0.50) | CYP19A1CYP3A4CYP3A5CYP17A1KMT2A | |
| SCHEMBL11096120 | 0.75 | CYP19A1 (0.48) | CYP19A1CYP3A4CYP3A5KMT2AKDM4E | |
| SCHEMBL9804963 | 0.70 | CYP19A1 (0.42) | CYP19A1KMT2AKDM4EALDH1A1MEN1 | |
| SCHEMBL11097341 | 0.70 | CYP19A1 (0.40) | CYP19A1CYP3A4CYP3A5KMT2AKDM4E | |
| SCHEMBL9804810 | 0.69 | CYP19A1 (0.39) | CYP19A1KMT2AKDM4EALDH1A1MEN1 | |
| SCHEMBL9804805 | 0.68 | CYP19A1 (0.40) | CYP19A1KMT2AKDM4EALDH1A1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0109299-A2 | 1,1-Disubstituted-2-heterocyclic ethanol derivatives | ELI LILLY AND COMPANY (US) | 1984-05-23 | — | — | EP | claimed |
| EP-0109299-A2 | 1,1-Disubstituted-2-heterocyclic ethanol derivatives | ELI LILLY AND COMPANY (US) | 1984-05-23 | — | — | EP | disclosed |